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2-(3-Hydroxypropynyl)-5-tert-butyltetrahydropyran isomer

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-(3-Hydroxypropynyl)-5-tert-butyltetrahydropyran isomer
SpectraBase Compound ID 4owjPmcJl1i
InChI InChI=1S/C12H20O2/c1-12(2,3)10-6-7-11(14-9-10)5-4-8-13/h10-11,13H,6-9H2,1-3H3
InChIKey XKJQLHANYNXMCL-UHFFFAOYSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EUUUVCJR4u
Name 2-(3-Hydroxypropynyl)-5-tert-butyltetrahydropyran isomer
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-12(2,3)10-6-7-11(14-9-10)5-4-8-13/h10-11,13H,6-9H2,1-3H3
InChIKey XKJQLHANYNXMCL-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
SMILES C(#CCO)C1OCC(C(C)(C)C)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97735